#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvp h ILE 1810N 0.00 1.31 -5.50 -0.61 -2.65 -2.14 -3.49 117.51 104.43 2kvp h ILE 1810Ca 0.00 -2.15 -0.06 0.00 1.03 0.00 0.00 64.86 63.68 2kvp h ILE 1810Cb 0.00 2.20 0.00 0.00 -2.05 0.00 0.00 36.82 36.97 2kvp h ILE 1810CO 0.00 0.59 -0.77 0.47 0.03 0.00 0.00 178.15 178.47 2kvp n ASP 1811N -3.65 -7.54 -4.85 2.16 8.00 -1.26 -5.00 116.55 104.41 2kvp n ASP 1811Ca -0.01 0.66 -0.33 0.00 0.71 0.00 0.00 54.79 55.83 2kvp n ASP 1811Cb 0.64 -4.60 -0.06 0.00 -0.02 0.00 0.00 41.12 37.08 2kvp n ASP 1811CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kvp s PRO 1812N -2.23 4.01 -0.48 -0.24 0.05 -1.26 -5.05 135.00 129.81 2kvp s PRO 1812Ca 0.19 0.64 -0.07 0.00 0.05 0.00 0.00 61.00 61.81 2kvp s PRO 1812Cb -0.04 -2.57 0.12 0.00 0.05 0.00 0.00 34.50 32.07 2kvp s PRO 1812CO 0.74 0.24 0.32 -0.06 0.05 0.00 0.00 177.00 178.29 2kvp s PHE 1813N -1.85 3.49 -0.97 0.56 0.08 -1.26 -5.02 117.98 113.01 2kvp s PHE 1813Ca 0.50 -2.14 -0.24 0.00 0.12 0.00 0.00 56.93 55.17 2kvp s PHE 1813Cb -0.12 -3.39 0.02 0.00 -0.57 0.00 0.00 43.02 38.96 2kvp s PHE 1813CO 0.19 -0.97 1.59 0.99 -0.10 0.00 0.00 175.22 176.91 2kvp s THR 1814N 1.11 3.77 -1.23 0.64 2.01 -1.26 -4.87 115.64 115.81 2kvp s THR 1814Ca 0.08 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 2kvp s THR 1814Cb -0.24 -4.74 0.20 0.00 0.01 0.00 0.00 72.50 67.73 2kvp s THR 1814CO -0.02 -1.64 1.87 -3.20 -0.69 0.00 0.00 174.62 170.93 2kvp n ASN 1815N 10.39 5.97 -4.79 3.53 5.15 -1.26 -4.98 115.26 129.27 2kvp n ASN 1815Ca 0.34 -3.22 -0.38 0.00 -0.60 0.00 0.00 54.58 50.72 2kvp n ASN 1815Cb 0.50 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 38.29 2kvp n ASN 1815CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2kvp s GLU 1816N -0.83 4.18 0.06 1.20 2.56 -1.26 -4.68 118.70 119.94 2kvp s GLU 1816Ca 0.40 0.59 0.00 0.00 0.00 0.00 0.00 54.97 55.96 2kvp s GLU 1816Cb 0.10 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.93 2kvp s GLU 1816CO 0.01 0.49 0.00 0.00 -0.56 0.00 0.00 175.26 175.19 2kvp n ALA 1817N 2.40 0.00 -3.58 6.30 0.00 -1.26 -4.67 120.51 119.71 2kvp n ALA 1817Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2kvp n ALA 1817Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2kvp n ALA 1817CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvp s ALA 1818N -1.00 -2.02 0.08 0.00 0.00 -1.26 -4.69 121.76 112.86 2kvp s ALA 1818Ca 0.00 1.46 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 2kvp s ALA 1818Cb 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 23.12 22.99 2kvp s ALA 1818CO 0.00 -0.62 1.32 0.77 0.00 0.00 0.00 175.76 177.23 2kvp h SER 1819N 2.00 0.75 0.00 0.00 0.02 -1.95 -3.45 113.55 110.93 2kvp h SER 1819Ca -0.12 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 2kvp h SER 1819Cb 1.18 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2kvp h SER 1819CO 0.25 1.20 0.00 0.00 -1.14 0.00 0.00 176.83 177.13 2kvp n ALA 1820N -2.54 1.45 -2.72 3.77 0.00 -1.26 -5.11 120.51 114.10 2kvp n ALA 1820Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 2kvp n ALA 1820Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 2kvp n ALA 1820CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvp s ALA 1821N -1.83 1.08 0.20 0.00 0.00 -1.26 -5.04 121.76 114.90 2kvp s ALA 1821Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2kvp s ALA 1821Cb 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 23.12 22.92 2kvp s ALA 1821CO 0.00 0.24 1.46 0.78 0.00 0.00 0.00 175.76 178.24 2kvp h GLY 1822N 5.99 0.26 -0.09 0.00 0.00 -1.95 -3.44 103.07 103.84 2kvp h GLY 1822Ca -0.33 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 2kvp h GLY 1822CO 0.49 0.34 0.03 3.33 0.00 0.00 0.00 176.54 180.73 2kvp n VAL 1823N -3.77 0.00 -2.27 4.60 0.24 -1.26 -4.95 118.33 110.92 2kvp n VAL 1823Ca -0.03 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.34 61.77 2kvp n VAL 1823Cb 0.71 -1.75 -0.03 0.00 -1.47 0.00 0.00 33.84 31.31 2kvp n VAL 1823CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2kvp s VAL 1824N -0.84 3.52 0.07 3.34 1.01 -1.26 -4.93 120.40 121.31 2kvp s VAL 1824Ca 0.06 0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 2kvp s VAL 1824Cb -0.00 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2kvp s VAL 1824CO 0.04 -1.34 0.20 -0.83 0.00 0.00 0.00 175.10 173.17 2kvp s GLY 1825N 6.16 0.06 0.00 4.51 0.00 -1.26 -4.47 107.32 112.32 2kvp s GLY 1825Ca 0.53 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2kvp s GLY 1825CO 0.18 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.25 2kvp n GLY 1826N 0.27 2.15 0.10 0.20 0.00 -1.26 -4.59 105.19 102.07 2kvp n GLY 1826Ca -0.17 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.59 2kvp n GLY 1826CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kvp n MET 1827N 0.00 0.15 0.13 1.61 0.00 -1.26 -1.26 117.12 116.50 2kvp n MET 1827Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 57.70 58.10 2kvp n MET 1827Cb 0.00 -1.79 0.33 0.00 0.00 0.00 0.00 33.22 31.75 2kvp n MET 1827CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2kvp h VAL 1828N 0.00 1.25 -0.02 3.17 3.04 -1.90 -2.03 116.25 119.75 2kvp h VAL 1828Ca 0.00 -1.16 -0.09 0.00 -1.01 0.00 0.00 66.70 64.43 2kvp h VAL 1828Cb 0.34 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 2kvp h VAL 1828CO 0.00 0.35 -0.43 -0.78 -1.01 0.00 0.00 177.57 175.70 2kvp h ASP 1829N 0.15 0.05 -0.47 3.17 3.58 -1.56 -2.48 116.42 118.86 2kvp h ASP 1829Ca 0.02 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2kvp h ASP 1829Cb 0.60 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2kvp h ASP 1829CO 0.04 0.48 0.11 0.28 -2.88 0.00 0.00 179.24 177.28 2kvp h SER 1830N 0.04 0.76 -0.31 2.28 0.02 -1.40 0.52 113.55 115.46 2kvp h SER 1830Ca 0.00 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 2kvp h SER 1830Cb 0.78 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2kvp h SER 1830CO 0.06 0.76 -0.04 0.40 -1.14 0.00 0.00 176.83 176.86 2kvp h ILE 1831N 0.78 1.27 -0.46 3.27 2.04 -1.21 0.13 117.51 123.33 2kvp h ILE 1831Ca 0.17 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 2kvp h ILE 1831Cb 0.31 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2kvp h ILE 1831CO 0.00 0.34 0.20 0.74 0.00 0.00 0.00 178.15 179.43 2kvp h THR 1832N 0.36 1.17 -0.52 -0.27 2.02 -1.23 -1.37 112.91 113.07 2kvp h THR 1832Ca 0.08 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 2kvp h THR 1832Cb 0.52 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2kvp h THR 1832CO 0.02 0.20 0.01 -0.61 0.37 0.00 0.00 175.52 175.52 2kvp h GLN 1833N 0.65 0.91 -0.36 6.66 5.75 -0.46 -2.11 115.11 126.16 2kvp h GLN 1833Ca 0.16 -0.29 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2kvp h GLN 1833Cb 0.11 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2kvp h GLN 1833CO -0.02 0.93 0.13 0.00 -2.65 0.00 0.00 178.83 177.22 2kvp h ALA 1834N 0.95 1.55 -0.12 3.38 0.00 -0.02 0.10 119.26 125.10 2kvp h ALA 1834Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kvp h ALA 1834Cb 0.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kvp h ALA 1834CO 0.02 0.35 0.02 0.82 0.00 0.00 0.00 179.25 180.47 2kvp h ILE 1835N 0.51 1.21 -0.57 0.00 2.04 -0.97 -2.91 117.51 116.82 2kvp h ILE 1835Ca 0.13 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 2kvp h ILE 1835Cb 0.13 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2kvp h ILE 1835CO -0.01 0.19 -0.05 0.78 0.00 0.00 0.00 178.15 179.06 2kvp h ASN 1836N -0.03 1.02 -0.27 1.72 2.35 -0.75 -2.26 115.58 117.36 2kvp h ASN 1836Ca 0.04 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 2kvp h ASN 1836Cb 0.28 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2kvp h ASN 1836CO 0.00 1.10 0.09 0.06 -1.65 0.00 0.00 177.43 177.03 2kvp h GLN 1837N 0.91 0.50 0.01 0.81 3.07 -0.84 -2.17 115.11 117.41 2kvp h GLN 1837Ca 0.15 -0.08 -0.23 0.00 0.09 0.00 0.00 58.65 58.59 2kvp h GLN 1837Cb 0.61 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2kvp h GLN 1837CO 0.04 0.46 -0.96 -0.07 0.09 0.00 0.00 178.83 178.39 2kvp h LEU 1838N 0.50 0.47 -2.03 0.06 3.38 -1.30 -3.07 115.31 113.31 2kvp h LEU 1838Ca 0.12 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2kvp h LEU 1838Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2kvp h LEU 1838CO -0.00 1.20 0.21 -0.78 0.09 0.00 0.00 178.44 179.15 2kvp h ASP 1839N 0.19 0.00 0.62 -0.43 3.58 -0.80 -2.35 116.42 117.23 2kvp h ASP 1839Ca -0.08 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 2kvp h ASP 1839Cb 1.60 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.66 2kvp h ASP 1839CO 0.16 0.00 -0.30 -0.08 -2.88 0.00 0.00 179.24 176.15 2kvp h GLU 1840N 0.00 -0.80 0.00 0.28 4.81 -1.39 -3.50 114.58 113.98 2kvp h GLU 1840Ca 0.13 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2kvp h GLU 1840Cb 0.55 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2kvp h GLU 1840CO -0.00 -0.48 0.00 0.41 -0.73 0.00 0.00 179.01 178.21 2kvp n GLY 1841N -0.85 -1.26 3.86 1.92 0.00 -0.88 -5.14 105.19 102.83 2kvp n GLY 1841Ca -0.12 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 2kvp n GLY 1841CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kvp s PRO 1842N -1.97 3.75 -0.05 1.61 0.02 -1.26 -4.72 135.00 132.38 2kvp s PRO 1842Ca 0.00 0.82 -0.06 0.00 0.02 0.00 0.00 61.00 61.78 2kvp s PRO 1842Cb 0.00 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 2kvp s PRO 1842CO 0.00 -0.42 0.30 1.98 -0.33 0.00 0.00 177.00 178.53 2kvp h MET 1843N 0.25 -0.20 0.00 5.54 4.05 -1.93 -3.49 114.93 119.15 2kvp h MET 1843Ca -0.45 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 2kvp h MET 1843Cb 1.19 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 2kvp h MET 1843CO 0.62 -0.14 0.00 0.41 0.23 0.00 0.00 176.91 178.03 2kvp n GLY 1844N 1.13 1.55 3.27 1.39 0.00 -1.26 -5.03 105.19 106.25 2kvp n GLY 1844Ca -0.03 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 2kvp n GLY 1844CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kvp n ASP 1845N 0.00 -6.86 -4.75 1.61 2.03 -1.26 -4.87 116.55 102.45 2kvp n ASP 1845Ca 0.00 -0.27 -0.41 0.00 0.52 0.00 0.00 54.79 54.63 2kvp n ASP 1845Cb 0.00 -4.10 -0.04 0.00 -0.72 0.00 0.00 41.12 36.26 2kvp n ASP 1845CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2kvp s PRO 1846N -3.49 4.67 0.32 -0.67 0.02 -1.26 -4.94 135.00 129.64 2kvp s PRO 1846Ca 0.05 1.68 0.25 0.00 0.02 0.00 0.00 61.00 63.00 2kvp s PRO 1846Cb -0.01 -3.26 0.73 0.00 0.02 0.00 0.00 34.50 31.98 2kvp s PRO 1846CO 0.80 0.21 1.73 0.93 -0.33 0.00 0.00 177.00 180.35 2kvp h GLU 1847N 4.60 0.00 0.00 5.54 5.08 -1.95 -3.47 114.58 124.38 2kvp h GLU 1847Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2kvp h GLU 1847Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kvp h GLU 1847CO 0.70 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.12 2kvp n GLY 1848N 0.99 3.30 3.89 -3.84 0.00 -1.26 -5.16 105.19 103.10 2kvp n GLY 1848Ca 0.04 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 2kvp n GLY 1848CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kvp s SER 1849N -0.97 4.30 0.31 1.61 0.01 -1.26 -4.91 113.70 112.79 2kvp s SER 1849Ca 0.00 0.77 0.03 0.00 1.31 0.00 0.00 55.95 58.06 2kvp s SER 1849Cb 0.00 -1.24 0.62 0.00 0.21 0.00 0.00 66.02 65.61 2kvp s SER 1849CO 0.00 -2.03 1.86 0.15 0.41 0.00 0.00 173.24 173.63 2kvp h PHE 1850N -1.15 1.04 -0.48 2.43 3.04 -1.74 -0.99 116.94 119.09 2kvp h PHE 1850Ca -0.46 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.57 2kvp h PHE 1850Cb 1.32 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.48 2kvp h PHE 1850CO 0.21 0.43 0.32 -0.24 -2.02 0.00 0.00 178.31 177.01 2kvp h VAL 1851N 0.92 0.98 -0.24 1.41 3.04 -1.74 0.39 116.25 121.01 2kvp h VAL 1851Ca 0.46 -0.15 -0.09 0.00 -1.01 0.00 0.00 66.70 65.92 2kvp h VAL 1851Cb 0.50 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 30.29 2kvp h VAL 1851CO -0.23 0.08 -0.18 -0.78 -1.01 0.00 0.00 177.57 175.45 2kvp h ASP 1852N 0.43 0.57 0.39 3.17 3.58 -1.51 -0.30 116.42 122.75 2kvp h ASP 1852Ca 0.21 -0.45 -0.17 0.00 0.42 0.00 0.00 57.03 57.04 2kvp h ASP 1852Cb 0.27 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2kvp h ASP 1852CO -0.05 0.90 -0.71 1.88 -2.88 0.00 0.00 179.24 178.38 2kvp h TYR 1853N 0.25 0.37 0.31 0.28 0.05 -1.37 -2.22 116.97 114.64 2kvp h TYR 1853Ca 0.04 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2kvp h TYR 1853Cb 0.72 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 2kvp h TYR 1853CO 0.07 0.89 -0.39 0.37 -1.05 0.00 0.00 178.16 178.05 2kvp h GLN 1854N 0.19 -0.72 -0.03 4.88 4.15 -0.10 0.49 115.11 123.97 2kvp h GLN 1854Ca -0.02 0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2kvp h GLN 1854Cb 1.26 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.11 2kvp h GLN 1854CO 0.11 -0.48 -0.13 1.79 -1.93 0.00 0.00 178.83 178.19 2kvp h THR 1855N -0.74 1.11 -0.04 2.39 1.35 -1.03 -1.10 112.91 114.85 2kvp h THR 1855Ca -0.01 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 2kvp h THR 1855Cb 0.69 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2kvp h THR 1855CO -0.11 0.15 -0.03 0.74 -0.25 0.00 0.00 175.52 176.02 2kvp h THR 1856N 0.04 1.37 -0.55 6.82 2.02 -1.05 -3.07 112.91 118.49 2kvp h THR 1856Ca 0.01 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 2kvp h THR 1856Cb 0.26 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 2kvp h THR 1856CO 0.02 0.31 0.09 0.24 0.37 0.00 0.00 175.52 176.55 2kvp h MET 1857N -0.35 0.91 -0.24 6.66 2.86 -0.41 -2.61 114.93 121.75 2kvp h MET 1857Ca 0.01 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 2kvp h MET 1857Cb 0.51 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2kvp h MET 1857CO 0.01 0.88 0.06 -0.39 1.06 0.00 0.00 176.91 178.52 2kvp h VAL 1858N 0.80 1.12 -0.18 -2.22 -1.51 -1.30 0.66 116.25 113.62 2kvp h VAL 1858Ca 0.17 -0.42 -0.04 0.00 -1.23 0.00 0.00 66.70 65.18 2kvp h VAL 1858Cb 0.40 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 2kvp h VAL 1858CO 0.01 0.15 -0.03 0.03 -1.23 0.00 0.00 177.57 176.50 2kvp h ARG 1859N 0.34 0.34 -0.10 5.19 3.08 -1.37 -1.87 114.38 119.99 2kvp h ARG 1859Ca 0.08 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2kvp h ARG 1859Cb 0.14 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2kvp h ARG 1859CO -0.00 0.59 -0.37 1.15 -1.07 0.00 0.00 179.97 180.27 2kvp h THR 1860N 0.07 1.29 -0.35 2.04 2.02 -1.07 -1.37 112.91 115.53 2kvp h THR 1860Ca 0.05 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 2kvp h THR 1860Cb 0.45 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2kvp h THR 1860CO 0.01 0.41 0.11 0.00 0.37 0.00 0.00 175.52 176.43 2kvp h ALA 1861N 1.46 0.46 0.00 6.16 0.00 -0.76 -0.49 119.26 126.09 2kvp h ALA 1861Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2kvp h ALA 1861Cb 0.73 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kvp h ALA 1861CO 0.06 0.10 -0.15 0.87 0.00 0.00 0.00 179.25 180.12 2kvp h LYS 1862N 0.42 0.00 -0.18 0.00 1.57 -1.03 -1.03 116.57 116.32 2kvp h LYS 1862Ca 0.11 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 2kvp h LYS 1862Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2kvp h LYS 1862CO -0.00 0.15 -0.67 0.00 -0.57 0.00 0.00 179.45 178.37 2kvp h ALA 1863N 1.85 0.48 0.00 3.86 0.00 -0.45 -2.52 119.26 122.47 2kvp h ALA 1863Ca -0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 2kvp h ALA 1863Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kvp h ALA 1863CO 0.02 0.70 -0.55 -0.84 0.00 0.00 0.00 179.25 178.58 2kvp h ILE 1864N 0.51 1.04 -0.52 0.00 -0.00 -0.76 -3.13 117.51 114.65 2kvp h ILE 1864Ca -0.02 -2.18 -0.10 0.00 -0.00 0.00 0.00 64.86 62.56 2kvp h ILE 1864Cb 1.26 2.31 -0.02 0.00 -0.00 0.00 0.00 36.82 40.38 2kvp h ILE 1864CO 0.13 0.54 -0.08 0.00 -0.00 0.00 0.00 178.15 178.74 2kvp h ALA 1865N 1.45 0.87 -0.01 0.16 0.00 -1.05 -0.28 119.26 120.40 2kvp h ALA 1865Ca -0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2kvp h ALA 1865Cb 1.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kvp h ALA 1865CO 0.07 0.65 -0.58 -0.24 0.00 0.00 0.00 179.25 179.15 2kvp h VAL 1866N 0.85 1.41 0.23 0.00 3.04 -1.48 -1.38 116.25 118.92 2kvp h VAL 1866Ca 0.14 -1.97 -0.01 0.00 -1.01 0.00 0.00 66.70 63.85 2kvp h VAL 1866Cb 0.62 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 2kvp h VAL 1866CO 0.04 0.57 -0.11 0.74 -1.01 0.00 0.00 177.57 177.80 2kvp h THR 1867N 0.03 0.84 -0.63 3.17 2.02 -1.40 -1.75 112.91 115.19 2kvp h THR 1867Ca -0.01 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 2kvp h THR 1867Cb 1.03 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 2kvp h THR 1867CO 0.08 0.14 0.30 1.62 0.37 0.00 0.00 175.52 178.03 2kvp h VAL 1868N -0.67 1.21 0.00 3.16 3.04 -1.04 0.64 116.25 122.59 2kvp h VAL 1868Ca -0.03 -0.60 -0.06 0.00 -1.01 0.00 0.00 66.70 65.00 2kvp h VAL 1868Cb 0.47 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2kvp h VAL 1868CO 0.05 0.25 -0.27 0.06 -1.01 0.00 0.00 177.57 176.65 2kvp h GLN 1869N 0.90 0.00 0.07 4.17 -0.00 -1.26 -1.85 115.11 117.14 2kvp h GLN 1869Ca 0.22 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.60 2kvp h GLN 1869Cb 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.61 2kvp h GLN 1869CO -0.03 0.27 -1.14 1.49 -0.00 0.00 0.00 178.83 179.42 2kvp h GLU 1870N 0.00 0.55 -0.58 0.06 4.57 -0.20 -3.21 114.58 115.77 2kvp h GLU 1870Ca -0.00 -0.69 -0.05 0.00 -1.18 0.00 0.00 59.36 57.44 2kvp h GLU 1870Cb 0.66 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 2kvp h GLU 1870CO 0.04 1.29 0.17 0.52 -1.18 0.00 0.00 179.01 179.85 2kvp h MET 1871N 0.27 0.91 -0.11 1.92 2.86 -0.36 0.47 114.93 120.88 2kvp h MET 1871Ca -0.15 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.26 2kvp h MET 1871Cb 1.81 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 2kvp h MET 1871CO 0.21 0.82 -0.06 -0.24 1.06 0.00 0.00 176.91 178.71 2kvp h VAL 1872N 0.82 1.11 0.00 -2.22 3.04 -1.47 -1.80 116.25 115.74 2kvp h VAL 1872Ca 0.19 -0.48 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 2kvp h VAL 1872Cb 0.30 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2kvp h VAL 1872CO -0.00 0.15 -0.13 0.74 -1.01 0.00 0.00 177.57 177.32 2kvp h THR 1873N 0.16 1.51 0.00 3.17 2.02 -1.36 -3.36 112.91 115.05 2kvp h THR 1873Ca 0.04 -2.18 -0.02 0.00 0.77 0.00 0.00 66.41 65.02 2kvp h THR 1873Cb 0.21 2.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2kvp h THR 1873CO 0.01 0.51 -0.10 0.11 0.37 0.00 0.00 175.52 176.42 2kvp h LYS 1874N -1.00 0.00 0.00 6.66 1.79 0.03 -2.23 116.57 121.82 2kvp h LYS 1874Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2kvp h LYS 1874Cb 0.92 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2kvp h LYS 1874CO -0.02 0.10 -0.03 0.66 -1.08 0.00 0.00 179.45 179.08 2kvp h SER 1875N 0.00 0.00 0.82 0.86 4.64 -1.47 1.08 113.55 119.48 2kvp h SER 1875Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2kvp h SER 1875Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2kvp h SER 1875CO 0.01 0.03 -1.14 0.78 -0.87 0.00 0.00 176.83 175.65 2kvp h ASN 1876N 0.00 0.18 0.00 4.97 2.35 -1.61 -3.41 115.58 118.07 2kvp h ASN 1876Ca -0.00 -0.20 -0.23 0.00 -0.55 0.00 0.00 56.30 55.32 2kvp h ASN 1876Cb 0.10 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 2kvp h ASN 1876CO 0.00 1.16 -1.82 0.35 -1.65 0.00 0.00 177.43 175.48 2kvp n THR 1877N -3.42 0.81 -3.66 2.81 -2.24 -0.66 -4.95 114.28 102.98 2kvp n THR 1877Ca -0.05 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 2kvp n THR 1877Cb 0.98 -1.40 -0.13 0.00 -2.10 0.00 0.00 70.33 67.68 2kvp n THR 1877CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kvp s SER 1878N -5.92 3.44 0.52 3.42 0.01 0.37 -4.96 113.70 110.57 2kvp s SER 1878Ca -0.20 -2.63 0.30 0.00 1.31 0.00 0.00 55.95 54.73 2kvp s SER 1878Cb 0.07 -0.91 1.26 0.00 0.21 0.00 0.00 66.02 66.64 2kvp s SER 1878CO 0.29 -0.26 1.95 1.55 0.41 0.00 0.00 173.24 177.18 2kvp h PRO 1879N 6.65 0.00 0.00 12.44 0.13 -1.79 -2.74 132.00 146.68 2kvp h PRO 1879Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2kvp h PRO 1879Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2kvp h PRO 1879CO 0.45 0.08 -0.45 -0.85 -0.23 0.00 0.00 178.00 177.00 2kvp n GLU 1880N -3.22 0.29 0.00 0.86 0.00 -1.26 -2.96 120.64 114.35 2kvp n GLU 1880Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 57.16 57.43 2kvp n GLU 1880Cb 0.33 -1.73 0.59 0.00 0.00 0.00 0.00 31.44 30.64 2kvp n GLU 1880CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2kvp n GLU 1881N -2.17 0.00 0.05 3.44 1.02 -1.03 -3.59 120.64 118.36 2kvp n GLU 1881Ca 0.04 -0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.14 2kvp n GLU 1881Cb 0.44 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.54 2kvp n GLU 1881CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kvp h LEU 1882N 0.00 0.38 0.49 -4.62 3.38 -1.61 -3.03 115.31 110.31 2kvp h LEU 1882Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2kvp h LEU 1882Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kvp h LEU 1882CO 0.00 0.75 -0.24 1.23 0.09 0.00 0.00 178.44 180.27 2kvp h GLY 1883N 1.15 -0.69 1.92 0.83 0.00 -1.76 0.33 103.07 104.86 2kvp h GLY 1883Ca 0.03 0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2kvp h GLY 1883CO 0.07 -0.25 0.05 -0.56 0.00 0.00 0.00 176.54 175.84 2kvp h PRO 1884N -0.77 0.11 0.00 4.80 0.13 -1.78 0.37 132.00 134.87 2kvp h PRO 1884Ca -0.07 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.82 2kvp h PRO 1884Cb 0.56 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 31.68 2kvp h PRO 1884CO 0.11 0.08 -0.91 -0.07 -0.23 0.00 0.00 178.00 176.98 2kvp h LEU 1885N 0.11 0.79 -1.43 1.56 3.38 -1.38 -0.50 115.31 117.84 2kvp h LEU 1885Ca 0.03 -0.75 0.04 0.00 0.09 0.00 0.00 57.88 57.29 2kvp h LEU 1885Cb 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2kvp h LEU 1885CO -0.01 1.44 0.42 0.00 0.09 0.00 0.00 178.44 180.39 2kvp h ALA 1886N 0.37 1.68 -0.59 1.53 0.00 0.15 0.40 119.26 122.79 2kvp h ALA 1886Ca -0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2kvp h ALA 1886Cb 1.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2kvp h ALA 1886CO 0.18 0.25 0.03 -0.97 0.00 0.00 0.00 179.25 178.74 2kvp h ASN 1887N 0.73 1.00 -0.28 0.00 -0.73 -0.75 -0.34 115.58 115.22 2kvp h ASN 1887Ca 0.26 -0.29 -0.08 0.00 1.87 0.00 0.00 56.30 58.06 2kvp h ASN 1887Cb 0.11 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 2kvp h ASN 1887CO -0.07 1.05 -0.14 -0.61 -0.37 0.00 0.00 177.43 177.29 2kvp h GLN 1888N 0.92 0.59 -0.94 6.67 5.75 0.16 0.11 115.11 128.38 2kvp h GLN 1888Ca 0.17 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2kvp h GLN 1888Cb 0.52 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 2kvp h GLN 1888CO 0.02 0.83 0.57 1.25 -2.65 0.00 0.00 178.83 178.86 2kvp h LEU 1889N 0.33 1.12 -0.29 -2.39 5.85 -0.18 -0.44 115.31 119.31 2kvp h LEU 1889Ca 0.06 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2kvp h LEU 1889Cb 0.65 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2kvp h LEU 1889CO 0.04 0.85 0.04 0.74 -0.34 0.00 0.00 178.44 179.77 2kvp h THR 1890N 1.29 1.24 0.04 1.05 2.02 -0.79 -1.53 112.91 116.23 2kvp h THR 1890Ca 0.34 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2kvp h THR 1890Cb -0.07 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2kvp h THR 1890CO -0.06 0.26 -0.02 0.77 0.37 0.00 0.00 175.52 176.84 2kvp h SER 1891N 0.30 -0.05 -0.91 4.18 4.64 -0.49 -0.34 113.55 120.88 2kvp h SER 1891Ca 0.09 -0.48 0.05 0.00 -0.47 0.00 0.00 61.79 60.98 2kvp h SER 1891Cb 0.35 0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 2kvp h SER 1891CO 0.01 0.47 0.58 0.44 -0.87 0.00 0.00 176.83 177.45 2kvp h ASP 1892N -0.58 0.94 -0.70 4.97 3.32 -1.17 -1.23 116.42 121.97 2kvp h ASP 1892Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2kvp h ASP 1892Cb 0.52 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2kvp h ASP 1892CO 0.01 0.63 0.28 0.22 -1.72 0.00 0.00 179.24 178.65 2kvp h TYR 1893N 1.09 1.07 -0.96 4.55 3.20 -1.22 -0.40 116.97 124.31 2kvp h TYR 1893Ca 0.38 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.24 2kvp h TYR 1893Cb 0.08 -0.32 -0.07 0.00 1.54 0.00 0.00 36.73 37.96 2kvp h TYR 1893CO -0.02 0.83 0.62 0.78 -1.64 0.00 0.00 178.16 178.73 2kvp h GLY 1894N 1.00 1.44 0.93 1.82 0.00 -0.12 0.34 103.07 108.48 2kvp h GLY 1894Ca 0.23 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2kvp h GLY 1894CO -0.02 0.30 -0.12 3.21 0.00 0.00 0.00 176.54 179.91 2kvp h ARG 1895N 1.08 0.67 -0.87 4.80 3.08 -0.73 -2.38 114.38 120.03 2kvp h ARG 1895Ca 0.42 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2kvp h ARG 1895Cb 0.23 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 2kvp h ARG 1895CO -0.17 0.86 0.56 -0.07 -1.07 0.00 0.00 179.97 180.08 2kvp h LEU 1896N 0.44 1.01 -1.89 3.04 3.38 -0.16 0.32 115.31 121.45 2kvp h LEU 1896Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kvp h LEU 1896Cb 0.63 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kvp h LEU 1896CO 0.04 0.75 -0.13 0.00 0.09 0.00 0.00 178.44 179.19 2kvp h ALA 1897N 1.31 1.37 0.14 1.53 0.00 -0.26 0.19 119.26 123.55 2kvp h ALA 1897Ca 0.32 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 2kvp h ALA 1897Cb -0.11 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kvp h ALA 1897CO -0.07 0.16 -1.40 1.03 0.00 0.00 0.00 179.25 178.97 2kvp h SER 1898N 0.00 0.48 1.32 0.00 0.87 -0.73 -3.33 113.55 112.16 2kvp h SER 1898Ca -0.00 -0.57 -0.09 0.00 -1.23 0.00 0.00 61.79 59.90 2kvp h SER 1898Cb 0.32 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2kvp h SER 1898CO 0.02 1.45 -0.43 1.56 -0.53 0.00 0.00 176.83 178.90 2kvp h GLN 1899N 0.08 0.00 -0.42 2.24 4.20 -0.23 -3.29 115.11 117.69 2kvp h GLN 1899Ca -0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 2kvp h GLN 1899Cb 2.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.78 2kvp h GLN 1899CO 0.20 0.43 -0.04 0.00 -0.67 0.00 0.00 178.83 178.75 2kvp h ALA 1900N 1.57 1.15 0.35 3.87 0.00 -0.75 -2.66 119.26 122.79 2kvp h ALA 1900Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2kvp h ALA 1900Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kvp h ALA 1900CO 0.06 0.55 -0.17 0.87 0.00 0.00 0.00 179.25 180.55 2kvp h LYS 1901N 0.65 -0.45 0.00 0.00 1.57 -1.71 0.05 116.57 116.68 2kvp h LYS 1901Ca 0.13 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2kvp h LYS 1901Cb 0.46 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2kvp h LYS 1901CO 0.02 -0.21 -0.05 -1.35 -0.57 0.00 0.00 179.45 177.29 2kvp h PRO 1902N -0.61 0.00 -0.11 3.15 0.11 -1.73 -2.24 132.00 130.56 2kvp h PRO 1902Ca -0.05 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2kvp h PRO 1902Cb 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 2kvp h PRO 1902CO 0.08 0.05 -0.08 0.00 -0.21 0.00 0.00 178.00 177.84 2kvp h ALA 1903N 1.95 0.16 -0.87 -0.75 0.00 -1.18 -1.57 119.26 117.01 2kvp h ALA 1903Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2kvp h ALA 1903Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2kvp h ALA 1903CO 0.01 -0.02 0.52 0.00 0.00 0.00 0.00 179.25 179.75 2kvp h ALA 1904N 0.62 1.11 0.00 0.00 0.00 -0.68 -2.41 119.26 117.90 2kvp h ALA 1904Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2kvp h ALA 1904Cb 0.57 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kvp h ALA 1904CO 0.02 0.57 -0.42 -0.24 0.00 0.00 0.00 179.25 179.19 2kvp h VAL 1905N 1.19 0.82 0.00 0.00 3.04 -1.42 -2.96 116.25 116.92 2kvp h VAL 1905Ca 0.31 -1.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 2kvp h VAL 1905Cb -0.04 2.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2kvp h VAL 1905CO -0.06 0.41 0.00 0.00 -1.01 0.00 0.00 177.57 176.91 2kvp n ALA 1906N -2.25 2.08 -1.77 3.17 0.00 -0.59 -4.77 120.51 116.38 2kvp n ALA 1906Ca 0.01 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2kvp n ALA 1906Cb 0.61 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 2kvp n ALA 1906CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvp s ALA 1907N -3.13 3.22 -2.12 0.00 0.00 -1.06 -4.28 121.76 114.39 2kvp s ALA 1907Ca 0.09 0.70 0.15 0.00 0.00 0.00 0.00 51.96 52.90 2kvp s ALA 1907Cb 0.12 -3.26 0.50 0.00 0.00 0.00 0.00 23.12 20.48 2kvp s ALA 1907CO 0.51 -0.07 1.38 0.39 0.00 0.00 0.00 175.76 177.97 2kvp n GLU 1908N 0.52 1.82 -3.74 0.00 4.71 -1.26 -4.79 120.64 117.90 2kvp n GLU 1908Ca 0.02 -1.26 -0.14 0.00 -0.01 0.00 0.00 57.16 55.77 2kvp n GLU 1908Cb 0.48 -1.33 -0.15 0.00 -1.01 0.00 0.00 31.44 29.43 2kvp n GLU 1908CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2kvp s ASN 1909N -1.23 -0.02 0.22 1.62 3.84 -1.26 -5.04 114.94 113.07 2kvp s ASN 1909Ca 0.28 0.29 -0.09 0.00 0.21 0.00 0.00 52.86 53.56 2kvp s ASN 1909Cb 0.15 0.18 0.17 0.00 -0.55 0.00 0.00 41.25 41.20 2kvp s ASN 1909CO 0.21 -0.16 1.85 -0.08 -2.79 0.00 0.00 177.10 176.13 2kvp h GLU 1910N 7.36 1.12 0.00 0.43 4.22 -1.93 -1.32 114.58 124.46 2kvp h GLU 1910Ca -0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 58.91 2kvp h GLU 1910Cb 1.14 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kvp h GLU 1910CO 0.40 0.81 -0.04 0.93 -2.18 0.00 0.00 179.01 178.93 2kvp h GLU 1911N 1.12 0.00 0.07 1.92 3.07 -1.97 0.40 114.58 119.19 2kvp h GLU 1911Ca 0.29 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.05 2kvp h GLU 1911Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2kvp h GLU 1911CO -0.05 0.04 -0.43 0.82 -1.40 0.00 0.00 179.01 177.99 2kvp h ILE 1912N 0.00 1.64 -0.59 3.13 1.08 -1.66 -2.32 117.51 118.78 2kvp h ILE 1912Ca -0.00 -2.44 -0.08 0.00 -0.39 0.00 0.00 64.86 61.95 2kvp h ILE 1912Cb 0.10 3.29 -0.02 0.00 -3.07 0.00 0.00 36.82 37.12 2kvp h ILE 1912CO 0.00 0.66 0.06 1.23 -0.69 0.00 0.00 178.15 179.42 2kvp h GLY 1913N -0.68 1.09 2.00 5.37 0.00 -0.81 -1.47 103.07 108.57 2kvp h GLY 1913Ca -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 2kvp h GLY 1913CO 0.07 0.70 -0.17 0.00 0.00 0.00 0.00 176.54 177.14 2kvp h ALA 1914N 1.00 1.33 -0.23 3.60 0.00 -0.36 -1.27 119.26 123.33 2kvp h ALA 1914Ca 0.18 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2kvp h ALA 1914Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kvp h ALA 1914CO 0.02 0.21 -0.62 1.25 0.00 0.00 0.00 179.25 180.11 2kvp h HIS 1915N 0.00 1.02 0.30 0.00 6.17 -0.75 -2.56 115.15 119.34 2kvp h HIS 1915Ca -0.00 -0.39 -0.01 0.00 0.71 0.00 0.00 60.37 60.67 2kvp h HIS 1915Cb 0.41 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.16 2kvp h HIS 1915CO 0.00 1.21 -0.15 0.82 0.71 0.00 0.00 177.93 180.52 2kvp h ILE 1916N 0.59 0.66 -0.89 6.26 2.04 -0.81 -3.05 117.51 122.31 2kvp h ILE 1916Ca -0.01 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.22 2kvp h ILE 1916Cb 1.23 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 2kvp h ILE 1916CO 0.13 0.12 0.58 0.07 0.00 0.00 0.00 178.15 179.06 2kvp h LYS 1917N -0.82 1.04 0.00 2.37 2.10 -1.32 -0.95 116.57 118.99 2kvp h LYS 1917Ca -0.04 -0.06 -0.09 0.00 -2.00 0.00 0.00 60.65 58.45 2kvp h LYS 1917Cb 0.52 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2kvp h LYS 1917CO 0.07 0.68 -0.44 1.25 -2.00 0.00 0.00 179.45 179.01 2kvp h HIS 1918N 1.07 0.00 -0.03 0.07 2.76 -1.53 -1.61 115.15 115.88 2kvp h HIS 1918Ca 0.37 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.36 2kvp h HIS 1918Cb 0.11 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 2kvp h HIS 1918CO -0.00 0.44 -0.79 0.00 -1.30 0.00 0.00 177.93 176.28 2kvp h ARG 1919N 0.00 0.24 0.00 5.26 2.47 -1.07 -1.07 114.38 120.21 2kvp h ARG 1919Ca -0.00 -0.22 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 2kvp h ARG 1919Cb 0.86 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.22 2kvp h ARG 1919CO 0.06 0.91 -0.40 0.28 0.56 0.00 0.00 179.97 181.38 2kvp h VAL 1920N 0.15 1.01 -0.50 2.04 2.07 -1.08 -1.88 116.25 118.06 2kvp h VAL 1920Ca -0.03 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 2kvp h VAL 1920Cb 1.38 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 2kvp h VAL 1920CO 0.12 0.39 0.05 1.56 0.02 0.00 0.00 177.57 179.72 2kvp h GLN 1921N 0.00 0.84 -0.34 1.57 1.08 -0.89 0.20 115.11 117.57 2kvp h GLN 1921Ca -0.00 -0.24 0.07 0.00 -1.45 0.00 0.00 58.65 57.03 2kvp h GLN 1921Cb 0.87 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 28.14 2kvp h GLN 1921CO 0.05 0.85 -0.12 0.93 -0.95 0.00 0.00 178.83 179.60 2kvp h GLU 1922N 0.71 -0.05 -0.82 1.46 4.39 -0.64 -0.90 114.58 118.73 2kvp h GLU 1922Ca 0.15 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2kvp h GLU 1922Cb 0.44 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2kvp h GLU 1922CO 0.02 -0.03 0.42 -0.07 -1.16 0.00 0.00 179.01 178.19 2kvp h LEU 1923N -0.05 1.05 -0.27 1.33 3.38 -1.16 -2.50 115.31 117.09 2kvp h LEU 1923Ca 0.17 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2kvp h LEU 1923Cb 0.30 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2kvp h LEU 1923CO -0.38 0.87 -0.02 1.23 0.09 0.00 0.00 178.44 180.23 2kvp h GLY 1924N 1.16 0.24 1.05 0.83 0.00 0.63 1.00 103.07 107.97 2kvp h GLY 1924Ca 0.29 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 2kvp h GLY 1924CO -0.04 -0.07 0.26 0.45 0.00 0.00 0.00 176.54 177.13 2kvp h HIS 1925N 0.05 1.19 0.06 5.60 3.86 -1.08 0.24 115.15 125.07 2kvp h HIS 1925Ca 0.13 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2kvp h HIS 1925Cb 0.18 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.30 2kvp h HIS 1925CO -0.22 0.93 -0.03 0.78 0.86 0.00 0.00 177.93 180.25 2kvp h GLY 1926N 1.11 -0.08 0.39 2.45 0.00 -0.97 -2.54 103.07 103.43 2kvp h GLY 1926Ca 0.25 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.67 2kvp h GLY 1926CO -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 176.54 176.49 2kvp h SER 1928N 0.09 0.16 -0.53 0.00 0.87 -1.02 -1.10 113.55 112.02 2kvp h SER 1928Ca 0.18 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 2kvp h SER 1928Cb 0.26 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2kvp h SER 1928CO -0.31 0.12 -0.03 0.00 -0.53 0.00 0.00 176.83 176.08 2kvp h ALA 1929N 1.31 0.71 -0.18 6.23 0.00 -0.90 -2.18 119.26 124.26 2kvp h ALA 1929Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2kvp h ALA 1929Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kvp h ALA 1929CO -0.23 0.56 0.08 1.25 0.00 0.00 0.00 179.25 180.91 2kvp h LEU 1930N 0.82 0.24 -0.73 0.00 6.46 -0.25 -0.69 115.31 121.16 2kvp h LEU 1930Ca 0.15 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 2kvp h LEU 1930Cb 0.57 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2kvp h LEU 1930CO 0.03 0.32 -0.37 -0.37 -0.62 0.00 0.00 178.44 177.44 2kvp h VAL 1931N 0.14 1.29 -0.01 1.05 -1.51 -1.17 0.28 116.25 116.33 2kvp h VAL 1931Ca 0.06 -1.50 -0.14 0.00 -1.23 0.00 0.00 66.70 63.89 2kvp h VAL 1931Cb 0.15 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.80 2kvp h VAL 1931CO -0.01 0.48 -0.64 0.00 -1.23 0.00 0.00 177.57 176.17 2kvp h THR 1932N 0.47 1.45 -0.33 7.19 1.03 -1.28 -1.14 112.91 120.29 2kvp h THR 1932Ca 0.05 -2.16 -0.14 0.00 -0.01 0.00 0.00 66.41 64.15 2kvp h THR 1932Cb 0.85 2.16 -0.01 0.00 -1.07 0.00 0.00 68.15 70.09 2kvp h THR 1932CO 0.07 0.62 -0.34 0.11 -0.01 0.00 0.00 175.52 175.97 2kvp h LYS 1933N 0.02 0.82 -0.94 0.00 6.56 -0.73 -1.97 116.57 120.33 2kvp h LYS 1933Ca -0.01 -0.43 -0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2kvp h LYS 1933Cb 1.13 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.76 2kvp h LYS 1933CO 0.08 1.07 0.57 0.00 -2.06 0.00 0.00 179.45 179.12 2kvp h ALA 1934N 0.74 1.19 0.20 3.86 0.00 -0.73 0.38 119.26 124.89 2kvp h ALA 1934Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kvp h ALA 1934Cb 0.92 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kvp h ALA 1934CO 0.08 0.64 -0.11 0.78 0.00 0.00 0.00 179.25 180.65 2kvp h GLY 1935N 1.29 -0.29 2.00 0.00 0.00 -1.12 -0.56 103.07 104.40 2kvp h GLY 1935Ca 0.34 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.73 2kvp h GLY 1935CO -0.06 -0.11 -0.24 0.00 0.00 0.00 0.00 176.54 176.13 2kvp h ALA 1936N 0.52 1.28 -0.07 3.60 0.00 -0.98 -2.45 119.26 121.16 2kvp h ALA 1936Ca -0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 2kvp h ALA 1936Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kvp h ALA 1936CO 0.03 0.30 -0.83 1.25 0.00 0.00 0.00 179.25 180.00 2kvp h LEU 1937N 0.00 0.69 -1.27 0.00 7.12 0.04 -3.01 115.31 118.89 2kvp h LEU 1937Ca -0.00 -0.49 -0.06 0.00 0.13 0.00 0.00 57.88 57.46 2kvp h LEU 1937Cb 0.54 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 2kvp h LEU 1937CO 0.03 1.27 -0.29 1.56 -0.13 0.00 0.00 178.44 180.88 2kvp h GLN 1938N 0.36 0.00 -0.03 1.25 4.20 -0.67 0.16 115.11 120.38 2kvp h GLN 1938Ca -0.06 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 2kvp h GLN 1938Cb 1.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 2kvp h GLN 1938CO 0.15 0.29 -0.37 0.00 -0.67 0.00 0.00 178.83 178.23 2kvp n SER 1940N -4.08 -1.92 0.19 0.00 7.64 -0.75 -4.99 113.62 109.70 2kvp n SER 1940Ca -0.02 -2.71 0.12 0.00 1.01 0.00 0.00 58.87 57.27 2kvp n SER 1940Cb 0.42 0.63 0.64 0.00 -1.01 0.00 0.00 64.21 64.90 2kvp n SER 1940CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2kvp h PRO 1941N 5.09 0.00 0.00 1.43 0.13 -0.89 -0.73 132.00 137.03 2kvp h PRO 1941Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 2kvp h PRO 1941Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 2kvp h PRO 1941CO 0.22 0.00 -0.36 1.03 -0.23 0.00 0.00 178.00 178.66 2kvp h SER 1942N 0.00 0.00 -3.04 1.44 0.87 -1.94 -3.45 113.55 107.43 2kvp h SER 1942Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2kvp h SER 1942Cb 0.08 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 2kvp h SER 1942CO 0.00 0.08 1.13 -0.62 -0.53 0.00 0.00 176.83 176.89 2kvp s ASP 1943N -6.02 6.17 0.28 6.23 2.15 -0.28 -4.87 116.67 120.33 2kvp s ASP 1943Ca 0.04 0.79 0.00 0.00 0.43 0.00 0.00 52.55 53.82 2kvp s ASP 1943Cb 0.07 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.54 2kvp s ASP 1943CO 0.71 -1.58 1.76 -0.37 -0.17 0.00 0.00 175.17 175.53 2kvp h VAL 1944N 6.53 1.24 -0.13 1.11 -1.51 -1.88 -2.60 116.25 119.02 2kvp h VAL 1944Ca -0.28 -1.06 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2kvp h VAL 1944Cb 1.12 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 2kvp h VAL 1944CO 1.10 0.36 0.05 0.22 -1.23 0.00 0.00 177.57 178.07 2kvp h TYR 1945N 0.60 0.19 -0.77 5.19 3.20 -1.98 0.28 116.97 123.67 2kvp h TYR 1945Ca 0.11 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.99 2kvp h TYR 1945Cb 0.51 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2kvp h TYR 1945CO 0.02 0.27 0.50 1.15 -1.64 0.00 0.00 178.16 178.46 2kvp h THR 1946N 0.05 1.15 -0.74 1.81 2.02 -1.92 0.86 112.91 116.14 2kvp h THR 1946Ca 0.04 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 2kvp h THR 1946Cb 0.16 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 2kvp h THR 1946CO -0.00 0.18 0.22 0.50 0.37 0.00 0.00 175.52 176.79 2kvp h LYS 1947N 0.99 1.15 -0.57 6.66 3.64 -1.16 -1.00 116.57 126.28 2kvp h LYS 1947Ca 0.30 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2kvp h LYS 1947Cb -0.04 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2kvp h LYS 1947CO -0.09 0.99 0.20 -0.22 -2.27 0.00 0.00 179.45 178.05 2kvp h LYS 1948N 1.10 0.88 -0.89 1.90 3.64 0.29 -0.72 116.57 122.77 2kvp h LYS 1948Ca 0.24 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2kvp h LYS 1948Cb 0.32 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2kvp h LYS 1948CO -0.01 0.78 0.47 0.93 -2.27 0.00 0.00 179.45 179.36 2kvp h GLU 1949N 0.80 1.25 -0.70 1.90 5.08 -0.54 -0.47 114.58 121.91 2kvp h GLU 1949Ca 0.19 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2kvp h GLU 1949Cb 0.26 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2kvp h GLU 1949CO -0.01 0.92 0.32 1.25 -1.00 0.00 0.00 179.01 180.49 2kvp h LEU 1950N 1.25 0.92 -0.70 1.33 6.46 -0.73 0.31 115.31 124.15 2kvp h LEU 1950Ca 0.31 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2kvp h LEU 1950Cb 0.05 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.71 2kvp h LEU 1950CO -0.05 0.81 0.43 0.40 -0.62 0.00 0.00 178.44 179.41 2kvp h ILE 1951N 0.97 1.20 -0.04 4.05 2.04 -0.58 0.37 117.51 125.53 2kvp h ILE 1951Ca 0.24 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2kvp h ILE 1951Cb 0.15 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2kvp h ILE 1951CO -0.03 0.21 0.02 -0.33 0.00 0.00 0.00 178.15 178.03 2kvp h GLU 1952N 0.96 0.05 -0.45 2.37 4.39 -0.52 -0.97 114.58 120.41 2kvp h GLU 1952Ca 0.25 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.99 2kvp h GLU 1952Cb -0.03 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2kvp h GLU 1952CO -0.05 0.06 0.21 0.00 -1.16 0.00 0.00 179.01 178.08 2kvp h ALA 1954N 1.25 0.70 -0.27 0.00 0.00 -0.07 -0.67 119.26 120.20 2kvp h ALA 1954Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2kvp h ALA 1954Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kvp h ALA 1954CO -0.15 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.27 2kvp h ARG 1955N 0.63 0.30 -0.80 0.00 3.08 -0.67 -0.93 114.38 116.00 2kvp h ARG 1955Ca 0.22 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2kvp h ARG 1955Cb 0.04 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 2kvp h ARG 1955CO -0.11 0.20 0.51 0.00 -1.07 0.00 0.00 179.97 179.50 2kvp h ARG 1956N 0.31 0.95 0.33 0.04 3.08 -0.55 0.40 114.38 118.94 2kvp h ARG 1956Ca 0.11 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2kvp h ARG 1956Cb 0.01 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2kvp h ARG 1956CO -0.06 0.63 -0.16 0.28 -1.07 0.00 0.00 179.97 179.60 2kvp h VAL 1957N 0.98 0.70 -0.83 2.04 2.07 -0.80 -2.00 116.25 118.40 2kvp h VAL 1957Ca 0.33 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.61 2kvp h VAL 1957Cb 0.04 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2kvp h VAL 1957CO -0.13 0.06 0.55 -1.28 0.02 0.00 0.00 177.57 176.79 2kvp h SER 1958N -0.59 0.86 -0.41 0.57 0.87 -0.81 -1.18 113.55 112.87 2kvp h SER 1958Ca -0.04 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2kvp h SER 1958Cb 0.43 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2kvp h SER 1958CO 0.07 0.58 0.18 -0.33 -0.53 0.00 0.00 176.83 176.81 2kvp h GLU 1959N 0.99 0.59 0.00 2.24 5.08 -0.84 -2.96 114.58 119.69 2kvp h GLU 1959Ca 0.34 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2kvp h GLU 1959Cb 0.10 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2kvp h GLU 1959CO -0.11 0.53 -0.35 0.87 -1.00 0.00 0.00 179.01 178.95 2kvp h LYS 1960N 0.51 0.00 -0.71 2.33 1.79 -0.48 -2.69 116.57 117.32 2kvp h LYS 1960Ca 0.14 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.71 2kvp h LYS 1960Cb 0.14 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.72 2kvp h LYS 1960CO -0.02 0.35 0.34 0.28 -1.08 0.00 0.00 179.45 179.33 2kvp h VAL 1961N 0.00 0.82 -0.89 0.50 2.07 -1.10 0.37 116.25 118.02 2kvp h VAL 1961Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2kvp h VAL 1961Cb 0.75 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2kvp h VAL 1961CO 0.05 0.10 0.52 -1.28 0.02 0.00 0.00 177.57 176.98 2kvp h SER 1962N 0.57 1.08 -0.42 0.57 0.87 -1.53 0.21 113.55 114.90 2kvp h SER 1962Ca 0.36 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.74 2kvp h SER 1962Cb 0.40 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2kvp h SER 1962CO -0.29 0.84 -0.11 0.45 -0.53 0.00 0.00 176.83 177.20 2kvp h HIS 1963N 1.23 0.98 0.21 2.24 -0.00 -1.16 -1.30 115.15 117.35 2kvp h HIS 1963Ca 0.32 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 2kvp h HIS 1963Cb -0.02 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.14 2kvp h HIS 1963CO 0.01 0.94 -0.10 0.28 -0.00 0.00 0.00 177.93 179.05 2kvp h VAL 1964N 0.79 0.86 -0.37 2.45 2.07 -0.33 -2.52 116.25 119.20 2kvp h VAL 1964Ca 0.13 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.33 2kvp h VAL 1964Cb 0.63 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2kvp h VAL 1964CO 0.04 0.09 0.01 -0.07 0.02 0.00 0.00 177.57 177.66 2kvp h LEU 1965N -0.48 -0.12 -1.99 2.57 3.38 -0.86 -1.49 115.31 116.32 2kvp h LEU 1965Ca -0.03 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2kvp h LEU 1965Cb 0.36 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kvp h LEU 1965CO 0.05 -0.03 -0.10 0.00 0.09 0.00 0.00 178.44 178.45 2kvp h ALA 1966N 1.31 1.28 0.00 1.53 0.00 -1.23 -2.22 119.26 119.93 2kvp h ALA 1966Ca 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kvp h ALA 1966Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kvp h ALA 1966CO -0.29 0.12 -0.27 0.00 0.00 0.00 0.00 179.25 178.82 2kvp h ALA 1967N 1.90 1.08 -0.09 0.00 0.00 -0.81 -3.27 119.26 118.07 2kvp h ALA 1967Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 2kvp h ALA 1967Cb 0.30 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kvp h ALA 1967CO 0.01 0.33 -0.54 -0.07 0.00 0.00 0.00 179.25 178.99 2kvp h LEU 1968N 0.00 0.64 -1.01 0.00 -0.00 -1.38 -3.26 115.31 110.29 2kvp h LEU 1968Ca -0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 2kvp h LEU 1968Cb 0.72 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2kvp h LEU 1968CO 0.03 1.19 0.00 0.00 -0.00 0.00 0.00 178.44 179.66 2kvp n GLN 1969N -4.21 0.17 0.00 1.13 3.00 -1.23 -1.35 117.38 114.89 2kvp n GLN 1969Ca -0.08 0.51 0.13 0.00 -0.01 0.00 0.00 57.00 57.55 2kvp n GLN 1969Cb 0.62 -1.91 0.63 0.00 0.00 0.00 0.00 30.24 29.58 2kvp n GLN 1969CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kvp n ALA 1970N -1.78 2.28 -2.93 -1.58 0.00 -1.23 -4.86 120.51 110.42 2kvp n ALA 1970Ca 0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 2kvp n ALA 1970Cb 0.15 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.20 2kvp n ALA 1970CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvp n GLY 1971N 1.04 1.78 3.61 0.00 0.00 -0.46 -5.01 105.19 106.15 2kvp n GLY 1971Ca 0.10 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 2kvp n GLY 1971CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kvp s ASN 1972N -2.24 6.05 0.00 1.61 3.04 -1.26 -5.01 114.94 117.13 2kvp s ASN 1972Ca 0.21 1.41 0.22 0.00 0.04 0.00 0.00 52.86 54.73 2kvp s ASN 1972Cb -0.02 -2.53 0.17 0.00 -1.54 0.00 0.00 41.25 37.34 2kvp s ASN 1972CO 0.13 -1.56 1.18 0.54 -3.04 0.00 0.00 177.10 174.35